2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone

C29H38N4O — CID 134329487

IUPAC2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)C5CC5)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H38N4O/c1-18(2)28-25-16-22(6-9-26(25)31-29(28)23-14-19(3)30-20(4)15-23)21-10-12-33(13-11-21)27(34)17-32(5)24-7-8-24/h6,9,14-16,18,21,24,31H,7-8,10-13,17H2,1-5H3
InChIKeyOUTRQIJXDHDHKC-UHFFFAOYSA-N
MW458.65 g/mol
LogP5.77
Rot. Bonds6

About 2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone

2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone (PubChem CID 134329487) has the molecular formula C29H38N4O and a molecular weight of 458.65 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
PubChem CID134329487
Molecular FormulaC29H38N4O
Molecular Weight458.65 g/mol
Exact Mass458.30
IUPAC Name2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)C5CC5)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H38N4O/c1-18(2)28-25-16-22(6-9-26(25)31-29(28)23-14-19(3)30-20(4)15-23)21-10-12-33(13-11-21)27(34)17-32(5)24-7-8-24/h6,9,14-16,18,21,24,31H,7-8,10-13,17H2,1-5H3
InChIKeyOUTRQIJXDHDHKC-UHFFFAOYSA-N
XLogP5.77
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)amino]ethanone
CID 134330047
N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-[(1Z,3Z)-penta-1,3-dienyl]formamide
CID 166839178
2-[cyclopropyl(methyl)amino]-1-[4-[2-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142593718
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(1-methylcyclopropyl)methylamino]ethanone
CID 134329917
N-diazenyl-N-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]ethanimidamide
CID 142302625
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134330087
3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 134329418
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 134329464
[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 134329407
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134329526
2-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 134329893
4-[2-(2-chloro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid
CID 146575365

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone (CID 134329487) is 2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)C5CC5)CC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is OUTRQIJXDHDHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O/c1-18(2)28-25-16-22(6-9-26(25)31-29(28)23-14-19(3)30-20(4)15-23)21-10-12-33(13-11-21)27(34)17-32(5)24-7-8-24/h6,9,14-16,18,21,24,31H,7-8,10-13,17H2,1-5H3.
What are the key properties of 2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 458.65 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134329487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).